N-(2-azanylethyl)-1-ethanoyl-4-[2-methylpropyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-ethanoyl-4-[2-methylpropyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(2-aminoethyl)-4-[isobutyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropyl-[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(2-aminoethyl)-4-[isobutyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C18H28N4O3S MolecularWeight: 380.50492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CC(N(C1)C(=O)C)C(=O)NCCN)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CN(C1CC(N(C1)C(=O)C)C(=O)NCCN)C(=O)C2=CC=CS2

InChI

InChI=1S/C18H28N4O3S/c1-12(2)10-22(18(25)16-5-4-8-26-16)14-9-15(17(24)20-7-6-19)21(11-14)13(3)23/h4-5,8,12,14-15H,6-7,9-11,19H2,1-3H3,(H,20,24)